2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C49H47FN24O2 — CID 161170912

About 2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine

2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 161170912) has the molecular formula C49H47FN24O2 and a molecular weight of 1023.08 g/mol. Its IUPAC name is 2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 161170912
• Molecular Formula: C49H47FN24O2
• Molecular Weight: 1023.08 g/mol
• Exact Mass: 1022.43
• IUPAC Name: 2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: Cc1[nH]nc2cc(-c3nn(C)c4ncnc(N)c34)ccc12.Cc1n[nH]c(C)c1-c1nn(C)c2ncnc(N)c12.Cn1nc(-c2ccc(F)cc2O)c2c(N)ncnc21.Cn1nc(-c2ccc(O)cc2)c2c(N)ncnc21
• InChI: InChI=1S/C14H13N7.C12H10FN5O.C12H11N5O.C11H13N7/c1-7-9-4-3-8(5-10(9)19-18-7)12-11-13(15)16-6-17-14(11)21(2)20-12;1-18-12-9(11(14)15-5-16-12)10(17-18)7-3-2-6(13)4-8(7)19;1-17-12-9(11(13)14-6-15-12)10(16-17)7-2-4-8(18)5-3-7;1-5-7(6(2)16-15-5)9-8-10(12)13-4-14-11(8)18(3)17-9/h3-6H,1-2H3,(H,18,19)(H2,15,16,17);2-5,19H,1H3,(H2,14,15,16);2-6,18H,1H3,(H2,13,14,15);4H,1-3H3,(H,15,16)(H2,12,13,14)
• InChIKey: URDVCLYTHPARJY-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 376.30 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 4
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1023.08
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 161170912) is 2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1[nH]nc2cc(-c3nn(C)c4ncnc(N)c34)ccc12.Cc1n[nH]c(C)c1-c1nn(C)c2ncnc(N)c12.Cn1nc(-c2ccc(F)cc2O)c2c(N)ncnc21.Cn1nc(-c2ccc(O)cc2)c2c(N)ncnc21.

What is the InChIKey of 2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is URDVCLYTHPARJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7.C12H10FN5O.C12H11N5O.C11H13N7/c1-7-9-4-3-8(5-10(9)19-18-7)12-11-13(15)16-6-17-14(11)21(2)20-12;1-18-12-9(11(14)15-5-16-12)10(17-18)7-3-2-6(13)4-8(7)19;1-17-12-9(11(13)14-6-15-12)10(16-17)7-2-4-8(18)5-3-7;1-5-7(6(2)16-15-5)9-8-10(12)13-4-14-11(8)18(3)17-9/h3-6H,1-2H3,(H,18,19)(H2,15,16,17);2-5,19H,1H3,(H2,14,15,16);2-6,18H,1H3,(H2,13,14,15);4H,1-3H3,(H,15,16)(H2,12,13,14).

What are the key properties of 2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine?

2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1023.08 g/mol, XLogP of 5.52, 4 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 161170912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).